2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline

C112H78N12O2P2 — CID 160738344

IUPAC2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc2ccc3ccccc3n2n1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cc4ccc5ccccc5n4n3)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2cc3ccc4ccccc4n3n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccc6ccccc6n5n4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C35H25N2OP.C30H20N4.C24H16N4.C23H17N2OP/c38-39(31-10-3-1-4-11-31,32-12-5-2-6-13-32)33-23-20-27(21-24-33)26-15-17-28(18-16-26)34-25-30-22-19-29-9-7-8-14-35(29)37(30)36-34;1-2-9-24(10-3-1)33-29-13-7-5-11-26(29)31-30(33)23-16-14-21(15-17-23)27-20-25-19-18-22-8-4-6-12-28(22)34(25)32-27;1-2-9-18(10-3-1)24-25-20-11-5-7-13-22(20)27(24)23-16-19-15-14-17-8-4-6-12-21(17)28(19)26-23;26-27(20-10-3-1-4-11-20,21-12-5-2-6-13-21)23-17-19-16-15-18-9-7-8-14-22(18)25(19)24-23/h1-25H;1-20H;1-16H;1-17H
InChIKeyRVFZIHSLXLGUII-UHFFFAOYSA-N
MW1685.89 g/mol
LogP24.24
Rot. Bonds13

About 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline

2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline (PubChem CID 160738344) has the molecular formula C112H78N12O2P2 and a molecular weight of 1685.89 g/mol. Its IUPAC name is 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline
PubChem CID160738344
Molecular FormulaC112H78N12O2P2
Molecular Weight1685.89 g/mol
Exact Mass1684.58
IUPAC Name2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc2ccc3ccccc3n2n1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cc4ccc5ccccc5n4n3)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2cc3ccc4ccccc4n3n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccc6ccccc6n5n4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C35H25N2OP.C30H20N4.C24H16N4.C23H17N2OP/c38-39(31-10-3-1-4-11-31,32-12-5-2-6-13-32)33-23-20-27(21-24-33)26-15-17-28(18-16-26)34-25-30-22-19-29-9-7-8-14-35(29)37(30)36-34;1-2-9-24(10-3-1)33-29-13-7-5-11-26(29)31-30(33)23-16-14-21(15-17-23)27-20-25-19-18-22-8-4-6-12-28(22)34(25)32-27;1-2-9-18(10-3-1)24-25-20-11-5-7-13-22(20)27(24)23-16-19-15-14-17-8-4-6-12-21(17)28(19)26-23;26-27(20-10-3-1-4-11-20,21-12-5-2-6-13-21)23-17-19-16-15-18-9-7-8-14-22(18)25(19)24-23/h1-25H;1-20H;1-16H;1-17H
InChIKeyRVFZIHSLXLGUII-UHFFFAOYSA-N
XLogP24.24
TPSA138.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001685.89
LogP ≤ 524.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline with MolForge

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Related Compounds

2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline;2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrazolo[1,5-a]quinoline
CID 159593879
2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline
CID 129040164
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphorylphenyl]-1-phenylbenzimidazole;2-[4-bis[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphorylphenyl]-1-phenylimidazo[1,2-a]pyridin-4-ium;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole;1-phenyl-2-[4-[phenyl-[4-(1-phenylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]phosphoryl]phenyl]imidazo[1,2-a]pyridin-4-ium
CID 159073802
2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]benzimidazole
CID 90362628
2-phenyl-1-(4-pyren-2-ylphenyl)benzimidazole
CID 90362549
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline
CID 129040100
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
1-(1,3-diphenylpyrazol-5-yl)-2-phenylbenzimidazole
CID 2834406
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline?
The IUPAC name of 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline (CID 160738344) is 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline is O=P(c1ccccc1)(c1ccccc1)c1cc2ccc3ccccc3n2n1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cc4ccc5ccccc5n4n3)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2cc3ccc4ccccc4n3n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccc6ccccc6n5n4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline?
The InChIKey is RVFZIHSLXLGUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N2OP.C30H20N4.C24H16N4.C23H17N2OP/c38-39(31-10-3-1-4-11-31,32-12-5-2-6-13-32)33-23-20-27(21-24-33)26-15-17-28(18-16-26)34-25-30-22-19-29-9-7-8-14-35(29)37(30)36-34;1-2-9-24(10-3-1)33-29-13-7-5-11-26(29)31-30(33)23-16-14-21(15-17-23)27-20-25-19-18-22-8-4-6-12-28(22)34(25)32-27;1-2-9-18(10-3-1)24-25-20-11-5-7-13-22(20)27(24)23-16-19-15-14-17-8-4-6-12-21(17)28(19)26-23;26-27(20-10-3-1-4-11-20,21-12-5-2-6-13-21)23-17-19-16-15-18-9-7-8-14-22(18)25(19)24-23/h1-25H;1-20H;1-16H;1-17H.
What are the key properties of 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline?
2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline has a molecular weight of 1685.89 g/mol, XLogP of 24.24, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 160738344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).